SCHEMBL9971677

SCHEMBL9971677

COC(=O)c1nc(-c2ccc(Cl)c(C3CO3)c2F)cc(N)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
PKM P14618 2/20 0.35
RCE1 Q9Y256 1/20 0.35
ALPL P05186 2/20 0.34
NQO2 P16083 1/20 0.34
KLKB1 P03952 3/20 0.32
ALOX5AP P20292 4/20 0.31
FEN1 P39748 4/20 0.31
CFTR P13569 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ABL1 P00519 1/20 0.30
S1PR4 O95977 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
GAA P10253 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9971676 0.88 KDM4E (0.32) KDM4EPKMRCE1ALPLNQO2
SCHEMBL3328751 0.88 SLC6A3 (0.37) KDM4EPKMRCE1ALPLNQO2
SCHEMBL3328979 0.82 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL29442558 0.82 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL115368 0.82 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL3324876 0.82 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL29423657 0.82 KDM4E (0.40) KDM4EPKMRCE1ALPLNQO2
SCHEMBL16076596 0.82 ALPL (0.43) KDM4EPKMRCE1ALPLNQO2
SCHEMBL121226 0.81 KDM4E (0.38) KDM4EPKMRCE1ALPLNQO2
SCHEMBL29442492 0.81 KDM4E (0.38) KDM4EPKMRCE1ALPLNQO2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962529-B2 Substituted picolinic acids, salts and acid derivatives thereof, and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-8962529-B2 Substituted picolinic acids, salts and acid derivatives thereof, and use thereof as herbicides BAYER CROPSCIENCE AG (DE) 2015-02-24 US disclosed
US-20120157314-A1 NOVEL SUBSTITUTED PICOLINIC ACIDS, SALTS AND ACID DERIVATIVES THEREOF, AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20120157314-A1 NOVEL SUBSTITUTED PICOLINIC ACIDS, SALTS AND ACID DERIVATIVES THEREOF, AND USE THEREOF AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120157314-A1 NOVEL SUBSTITUTED PICOLINIC ACIDS, SALTS AND ACID DERIVATIVES THEREOF, AND USE THEREOF AS HERBICIDES HPD, ALAD, DDT KDM4E 3652/4885PKM 995/4885RCE1 1403/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.